9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione

C15H16BrNO2 — CID 103565619

IUPAC9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
SMILESCC1CC2(CC(=O)NC(=O)C2c2cccc(Br)c2)C1
InChIInChI=1S/C15H16BrNO2/c1-9-6-15(7-9)8-12(18)17-14(19)13(15)10-3-2-4-11(16)5-10/h2-5,9,13H,6-8H2,1H3,(H,17,18,19)
InChIKeyYTTHIKNSBVBQND-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.00
Rot. Bonds1

About 9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione

9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione (PubChem CID 103565619) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione.

Molecular Properties

Compound Name9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
PubChem CID103565619
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
SMILESCC1CC2(CC(=O)NC(=O)C2c2cccc(Br)c2)C1
InChIInChI=1S/C15H16BrNO2/c1-9-6-15(7-9)8-12(18)17-14(19)13(15)10-3-2-4-11(16)5-10/h2-5,9,13H,6-8H2,1H3,(H,17,18,19)
InChIKeyYTTHIKNSBVBQND-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
The IUPAC name of 9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione (CID 103565619) is 9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione.
What is the SMILES notation for 9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
The canonical SMILES for 9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione is CC1CC2(CC(=O)NC(=O)C2c2cccc(Br)c2)C1.
What is the InChIKey of 9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
The InChIKey is YTTHIKNSBVBQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-9-6-15(7-9)8-12(18)17-14(19)13(15)10-3-2-4-11(16)5-10/h2-5,9,13H,6-8H2,1H3,(H,17,18,19).
What are the key properties of 9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione?
9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione has a molecular weight of 322.20 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione is sourced from PubChem (CID 103565619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).